4-(2-bromanylphenoxy)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]butanamide

Systemtic Name: 4-(2-bromanylphenoxy)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]butanamide Openeye Name: 4-(2-bromophenoxy)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]butanamide CAS Name: 4-(2-bromophenoxy)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]butanamide IUPAC Name: 4-(2-bromophenoxy)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]butanamide Traditional Name: 4-(2-bromophenoxy)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]butyramide Formula: C20H23BrN2O6 MolecularWeight: 467.31042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCCOC2=CC=CC=C2Br)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCCOC2=CC=CC=C2Br)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23BrN2O6/c1-27-18-12-14(16(23(25)26)13-19(18)28-2)9-10-22-20(24)8-5-11-29-17-7-4-3-6-15(17)21/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,22,24)